GPS-SSL: Guided Positive Sampling to Inject Prior Into Self-Supervised Learning

We propose Guided Positive Sampling Self-Supervised Learning (GPS-SSL), a general method to inject a priori knowledge into Self-Supervised Learning (SSL) positive samples selection. Current SSL methods leverage Data-Augmentations (DA) for generating positive samples and incorporate prior knowledge - an incorrect, or too weak DA will drastically reduce the quality of the learned representation. GPS-SSL proposes instead to design a metric space where Euclidean distances become a meaningful proxy for semantic relationship. In that space, it is now possible to generate positive samples from nearest neighbor sampling. Any prior knowledge can now be embedded into that metric space independently from the employed DA. From its simplicity, GPS-SSL is applicable to any SSL method, e.g. SimCLR or BYOL. A key benefit of GPS-SSL is in reducing the pressure in tailoring strong DAs. For example GPS-SSL reaches 85.58% on Cifar10 with weak DA while the baseline only reaches 37.51%. We therefore move a step forward towards the goal of making SSL less reliant on DA. We also show that even when using strong DAs, GPS-SSL outperforms the baselines on under-studied domains. We evaluate GPS-SSL along with multiple baseline SSL methods on numerous downstream datasets from different domains when the models use strong or minimal data augmentations. We hope that GPS-SSL will open new avenues in studying how to inject a priori knowledge into SSL in a principled manner.

Characterizing Large Language Model Geometry Solves Toxicity Detection and Generation

Large Language Models~(LLMs) drive current AI breakthroughs despite very little being known about their internal representations, e.g., how to extract a few informative features to solve various downstream tasks. To provide a practical and principled answer, we propose to characterize LLMs from a geometric perspective. We obtain in closed form (i) the intrinsic dimension in which the Multi-Head Attention embeddings are constrained to exist and (ii) the partition and per-region affine mappings of the per-layer feedforward networks. Our results are informative, do not rely on approximations, and are actionable. First, we show that, motivated by our geometric interpretation, we can bypass Llama$2$'s RLHF by controlling its embedding's intrinsic dimension through informed prompt manipulation. Second, we derive $7$ interpretable spline features that can be extracted from any (pre-trained) LLM layer, providing a rich abstract representation of their inputs. Those features alone ($224$ for Mistral-7B and Llama$2$-7B) are sufficient to help solve toxicity detection, infer the domain of the prompt, and even tackle the Jigsaw challenge, which aims at characterizing the type of toxicity of various prompts. Our results demonstrate how, even in large-scale regimes, exact theoretical results can answer practical questions in language models. Code: \url{https://github.com/RandallBalestriero/SplineLLM}.

Training Dynamics of Deep Network Linear Regions

The study of Deep Network (DN) training dynamics has largely focused on the evolution of the loss function, evaluated on or around train and test set data points. In fact, many DN phenomenon were first introduced in literature with that respect, e.g., double descent, grokking. In this study, we look at the training dynamics of the input space partition or linear regions formed by continuous piecewise affine DNs, e.g., networks with (leaky)ReLU nonlinearities. First, we present a novel statistic that encompasses the local complexity (LC) of the DN based on the concentration of linear regions inside arbitrary dimensional neighborhoods around data points. We observe that during training, the LC around data points undergoes a number of phases, starting with a decreasing trend after initialization, followed by an ascent and ending with a final descending trend. Using exact visualization methods, we come across the perplexing observation that during the final LC descent phase of training, linear regions migrate away from training and test samples towards the decision boundary, making the DN input-output nearly linear everywhere else. We also observe that the different LC phases are closely related to the memorization and generalization performance of the DN, especially during grokking.

Martian time-series unraveled: A multi-scale nested approach with factorial variational autoencoders

Unsupervised source separation involves unraveling an unknown set of source signals recorded through a mixing operator, with limited prior knowledge about the sources, and only access to a dataset of signal mixtures. This problem is inherently ill-posed and is further challenged by the variety of time-scales exhibited by sources in time series data. Existing methods typically rely on a preselected window size that limits their capacity to handle multi-scale sources. To address this issue, instead of operating in the time domain, we propose an unsupervised multi-scale clustering and source separation framework by leveraging wavelet scattering covariances that provide a low-dimensional representation of stochastic processes, capable of distinguishing between different non-Gaussian stochastic processes. Nested within this representation space, we develop a factorial Gaussian-mixture variational autoencoder that is trained to (1) probabilistically cluster sources at different time-scales and (2) independently sample scattering covariance representations associated with each cluster. Using samples from each cluster as prior information, we formulate source separation as an optimization problem in the wavelet scattering covariance representation space, resulting in separated sources in the time domain. When applied to seismic data recorded during the NASA InSight mission on Mars, our multi-scale nested approach proves to be a powerful tool for discriminating between sources varying greatly in time-scale, e.g., minute-long transient one-sided pulses (known as ``glitches'') and structured ambient noises resulting from atmospheric activities that typically last for tens of minutes. These results provide an opportunity to conduct further investigations into the isolated sources related to atmospheric-surface interactions, thermal relaxations, and other complex phenomena.

A Cookbook of Self-Supervised Learning

Self-supervised learning, dubbed the dark matter of intelligence, is a promising path to advance machine learning. Yet, much like cooking, training SSL methods is a delicate art with a high barrier to entry. While many components are familiar, successfully training a SSL method involves a dizzying set of choices from the pretext tasks to training hyper-parameters. Our goal is to lower the barrier to entry into SSL research by laying the foundations and latest SSL recipes in the style of a cookbook. We hope to empower the curious researcher to navigate the terrain of methods, understand the role of the various knobs, and gain the know-how required to explore how delicious SSL can be.

A surprisingly simple technique to control the pretraining bias for better transfer: Expand or Narrow your representation

Self-Supervised Learning (SSL) models rely on a pretext task to learn representations. Because this pretext task differs from the downstream tasks used to evaluate the performance of these models, there is an inherent misalignment or pretraining bias. A commonly used trick in SSL, shown to make deep networks more robust to such bias, is the addition of a small projector (usually a 2 or 3 layer multi-layer perceptron) on top of a backbone network during training. In contrast to previous work that studied the impact of the projector architecture, we here focus on a simpler, yet overlooked lever to control the information in the backbone representation. We show that merely changing its dimensionality -- by changing only the size of the backbone's very last block -- is a remarkably effective technique to mitigate the pretraining bias. It significantly improves downstream transfer performance for both Self-Supervised and Supervised pretrained models.

Active Self-Supervised Learning: A Few Low-Cost Relationships Are All You Need

Self-Supervised Learning (SSL) has emerged as the solution of choice to learn transferable representations from unlabeled data. However, SSL requires to build samples that are known to be semantically akin, i.e. positive views. Requiring such knowledge is the main limitation of SSL and is often tackled by ad-hoc strategies e.g. applying known data-augmentations to the same input. In this work, we generalize and formalize this principle through Positive Active Learning (PAL) where an oracle queries semantic relationships between samples. PAL achieves three main objectives. First, it unveils a theoretically grounded learning framework beyond SSL, that can be extended to tackle supervised and semi-supervised learning depending on the employed oracle. Second, it provides a consistent algorithm to embed a priori knowledge, e.g. some observed labels, into any SSL losses without any change in the training pipeline. Third, it provides a proper active learning framework yielding low-cost solutions to annotate datasets, arguably bringing the gap between theory and practice of active learning that is based on simple-to-answer-by-non-experts queries of semantic relationships between inputs.

An Information-Theoretic Perspective on Variance-Invariance-Covariance Regularization

In this paper, we provide an information-theoretic perspective on Variance-Invariance-Covariance Regularization (VICReg) for self-supervised learning. To do so, we first demonstrate how information-theoretic quantities can be obtained for deterministic networks as an alternative to the commonly used unrealistic stochastic networks assumption. Next, we relate the VICReg objective to mutual information maximization and use it to highlight the underlying assumptions of the objective. Based on this relationship, we derive a generalization bound for VICReg, providing generalization guarantees for downstream supervised learning tasks and present new self-supervised learning methods, derived from a mutual information maximization objective, that outperform existing methods in terms of performance. This work provides a new information-theoretic perspective on self-supervised learning and Variance-Invariance-Covariance Regularization in particular and guides the way for improved transfer learning via information-theoretic self-supervised learning objectives.

Towards Democratizing Joint-Embedding Self-Supervised Learning

Joint Embedding Self-Supervised Learning (JE-SSL) has seen rapid developments in recent years, due to its promise to effectively leverage large unlabeled data. The development of JE-SSL methods was driven primarily by the search for ever increasing downstream classification accuracies, using huge computational resources, and typically built upon insights and intuitions inherited from a close parent JE-SSL method. This has led unwittingly to numerous pre-conceived ideas that carried over across methods e.g. that SimCLR requires very large mini batches to yield competitive accuracies; that strong and computationally slow data augmentations are required. In this work, we debunk several such ill-formed a priori ideas in the hope to unleash the full potential of JE-SSL free of unnecessary limitations. In fact, when carefully evaluating performances across different downstream tasks and properly optimizing hyper-parameters of the methods, we most often -- if not always -- see that these widespread misconceptions do not hold. For example we show that it is possible to train SimCLR to learn useful representations, while using a single image patch as negative example, and simple Gaussian noise as the only data augmentation for the positive pair. Along these lines, in the hope to democratize JE-SSL and to allow researchers to easily make more extensive evaluations of their methods, we introduce an optimized PyTorch library for SSL.

FAIR-Ensemble: When Fairness Naturally Emerges From Deep Ensembling

Ensembling independent deep neural networks (DNNs) is a simple and effective way to improve top-line metrics and to outperform larger single models. In this work, we go beyond top-line metrics and instead explore the impact of ensembling on subgroup performances. Surprisingly, even with a simple homogenous ensemble -- all the individual models share the same training set, architecture, and design choices -- we find compelling and powerful gains in worst-k and minority group performance, i.e. fairness naturally emerges from ensembling. We show that the gains in performance from ensembling for the minority group continue for far longer than for the majority group as more models are added. Our work establishes that simple DNN ensembles can be a powerful tool for alleviating disparate impact from DNN classifiers, thus curbing algorithmic harm. We also explore why this is the case. We find that even in homogeneous ensembles, varying the sources of stochasticity through parameter initialization, mini-batch sampling, and the data-augmentation realizations, results in different fairness outcomes.